#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgc h ASP 3 N 4.53 0.00 -3.55 0.00 3.32 -0.83 -3.45 116.42 116.44 1rgc h ASP 3 Ca -0.51 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.29 1rgc h ASP 3 Cb 1.20 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.44 1rgc h ASP 3 CO 0.60 0.90 -0.64 -0.31 -1.72 0.00 0.00 179.24 178.07 1rgc s TYR 4 N -2.72 -0.09 -0.18 4.55 2.02 -0.76 -4.97 117.35 115.21 1rgc s TYR 4 Ca -0.02 0.31 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 1rgc s TYR 4 Cb 0.09 -0.09 0.03 0.00 -0.40 0.00 0.00 41.96 41.58 1rgc s TYR 4 CO 0.81 -0.11 -0.15 0.99 -1.57 0.00 0.00 175.55 175.52 1rgc s THR 5 N 0.81 1.82 -0.53 -0.71 2.01 0.39 -0.43 115.64 118.99 1rgc s THR 5 Ca -0.06 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 1rgc s THR 5 Cb -0.09 -1.74 0.14 0.00 0.01 0.00 0.00 72.50 70.82 1rgc s THR 5 CO -0.03 0.39 0.31 0.00 -0.69 0.00 0.00 174.62 174.59 1rgc n GLY 7 N 3.63 1.96 0.31 0.00 0.00 -1.26 -1.37 105.19 108.45 1rgc n GLY 7 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1rgc n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rgc n SER 8 N 10.38 1.58 -4.68 1.61 3.41 -1.26 -4.94 113.62 119.72 1rgc n SER 8 Ca 0.00 -1.29 -0.43 0.00 -0.26 0.00 0.00 58.87 56.90 1rgc n SER 8 Cb 0.00 0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1rgc n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1rgc s ASN 9 N -2.47 7.16 -0.24 4.04 0.01 -0.47 -5.03 114.94 117.94 1rgc s ASN 9 Ca 0.14 1.58 -0.08 0.00 -0.71 0.00 0.00 52.86 53.79 1rgc s ASN 9 Cb 0.16 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 1rgc s ASN 9 CO 0.61 -0.53 0.09 0.00 -1.51 0.00 0.00 177.10 175.76 1rgc s TYR 11 N 1.31 2.06 0.40 0.00 2.02 0.43 -5.02 117.35 118.53 1rgc s TYR 11 Ca 0.05 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.44 1rgc s TYR 11 Cb -0.15 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 1rgc s TYR 11 CO 0.04 0.11 0.40 -1.54 -1.57 0.00 0.00 175.55 172.99 1rgc s SER 12 N -1.20 5.27 0.26 2.29 1.04 -1.26 -0.07 113.70 120.03 1rgc s SER 12 Ca 0.10 -0.60 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 1rgc s SER 12 Cb -0.09 -0.71 0.33 0.00 0.10 0.00 0.00 66.02 65.65 1rgc s SER 12 CO 0.02 -0.60 1.90 0.28 0.98 0.00 0.00 173.24 175.82 1rgc h SER 13 N 0.99 1.08 -0.81 7.02 0.02 -1.97 -2.37 113.55 117.51 1rgc h SER 13 Ca -0.42 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1rgc h SER 13 Cb 1.27 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.51 1rgc h SER 13 CO 0.55 0.74 0.52 0.77 -1.14 0.00 0.00 176.83 178.27 1rgc h SER 14 N 1.25 0.88 -0.65 3.07 4.64 -1.99 -1.40 113.55 119.35 1rgc h SER 14 Ca 0.40 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.77 1rgc h SER 14 Cb 0.01 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 61.84 1rgc h SER 14 CO -0.13 0.61 0.35 0.44 -0.87 0.00 0.00 176.83 177.24 1rgc h ASP 15 N 1.03 0.51 -0.39 4.97 3.32 -1.83 -0.09 116.42 123.95 1rgc h ASP 15 Ca 0.32 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1rgc h ASP 15 Cb -0.02 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1rgc h ASP 15 CO -0.10 0.33 0.18 0.58 -1.72 0.00 0.00 179.24 178.50 1rgc h VAL 16 N 0.65 1.18 -0.43 -1.35 2.07 -1.13 -1.81 116.25 115.43 1rgc h VAL 16 Ca 0.29 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1rgc h VAL 16 Cb 0.20 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1rgc h VAL 16 CO -0.19 0.19 0.20 0.28 0.02 0.00 0.00 177.57 178.07 1rgc h SER 17 N 0.48 0.57 -0.47 0.57 0.02 -0.88 0.43 113.55 114.28 1rgc h SER 17 Ca 0.13 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1rgc h SER 17 Cb 0.14 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1rgc h SER 17 CO -0.01 0.55 0.29 0.74 -1.14 0.00 0.00 176.83 177.25 1rgc h THR 18 N 0.55 1.07 -0.27 -2.27 2.02 -0.89 -1.33 112.91 111.79 1rgc h THR 18 Ca 0.15 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1rgc h THR 18 Cb 0.14 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1rgc h THR 18 CO -0.02 0.10 0.05 0.00 0.37 0.00 0.00 175.52 176.03 1rgc h ALA 19 N 1.20 0.36 -0.72 6.16 0.00 -1.08 -2.86 119.26 122.33 1rgc h ALA 19 Ca 0.18 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1rgc h ALA 19 Cb -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1rgc h ALA 19 CO -0.07 0.04 0.37 0.37 0.00 0.00 0.00 179.25 179.96 1rgc h GLN 20 N 0.27 0.62 -0.86 0.00 4.15 -0.80 -2.00 115.11 116.50 1rgc h GLN 20 Ca 0.08 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1rgc h GLN 20 Cb 0.32 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 1rgc h GLN 20 CO 0.00 0.41 0.53 0.00 -1.93 0.00 0.00 178.83 177.84 1rgc h ALA 21 N 1.42 1.10 0.12 3.38 0.00 -1.18 0.06 119.26 124.16 1rgc h ALA 21 Ca 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1rgc h ALA 21 Cb 0.33 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rgc h ALA 21 CO -0.25 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.50 1rgc h ALA 22 N 1.29 -0.16 -0.75 0.00 0.00 -1.17 -2.19 119.26 116.27 1rgc h ALA 22 Ca 0.31 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1rgc h ALA 22 Cb -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1rgc h ALA 22 CO -0.06 -0.52 0.29 0.78 0.00 0.00 0.00 179.25 179.74 1rgc h GLY 23 N -0.30 1.21 1.04 0.00 0.00 -1.26 -2.56 103.07 101.22 1rgc h GLY 23 Ca -0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 1rgc h GLY 23 CO 0.03 0.63 0.26 -1.82 0.00 0.00 0.00 176.54 175.64 1rgc h TYR 24 N 1.10 1.15 0.01 5.60 3.20 -0.92 -0.51 116.97 126.61 1rgc h TYR 24 Ca 0.25 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1rgc h TYR 24 Cb 0.23 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 1rgc h TYR 24 CO 0.02 0.89 -0.16 -0.22 -1.64 0.00 0.00 178.16 177.05 1rgc h LYS 25 N 1.07 -0.26 -0.71 1.82 3.11 -1.02 0.16 116.57 120.73 1rgc h LYS 25 Ca 0.24 0.02 0.08 0.00 -2.81 0.00 0.00 60.65 58.18 1rgc h LYS 25 Cb 0.26 0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 31.48 1rgc h LYS 25 CO -0.01 -0.18 0.37 -0.07 -2.81 0.00 0.00 179.45 176.75 1rgc h LEU 26 N -0.27 0.50 -0.53 5.20 3.38 -1.20 -0.57 115.31 121.82 1rgc h LEU 26 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rgc h LEU 26 Cb 0.33 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1rgc h LEU 26 CO -0.15 0.30 0.34 -0.74 0.09 0.00 0.00 178.44 178.28 1rgc h HIS 27 N 0.64 0.67 -0.84 1.13 2.76 -0.04 -1.85 115.15 117.63 1rgc h HIS 27 Ca 0.34 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.54 1rgc h HIS 27 Cb 0.32 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 1rgc h HIS 27 CO -0.10 0.43 0.55 0.93 -1.30 0.00 0.00 177.93 178.44 1rgc h GLU 28 N 0.71 1.06 -0.00 5.26 5.08 0.31 -2.70 114.58 124.30 1rgc h GLU 28 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1rgc h GLU 28 Cb -0.06 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.95 1rgc h GLU 28 CO -0.04 0.70 -0.00 -0.25 -1.00 0.00 0.00 179.01 178.42 1rgc n ASP 29 N -4.53 0.01 -1.21 1.42 8.00 -0.32 -4.92 116.55 114.99 1rgc n ASP 29 Ca 0.10 0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.58 1rgc n ASP 29 Cb 0.05 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1rgc n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rgc n GLY 30 N 1.37 -0.04 3.55 0.44 0.00 -0.77 -5.03 105.19 104.70 1rgc n GLY 30 Ca 0.12 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 1rgc n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rgc s GLU 31 N -4.56 1.93 0.24 1.61 2.02 -0.79 -5.06 118.70 114.10 1rgc s GLU 31 Ca 0.01 -1.66 0.01 0.00 0.02 0.00 0.00 54.97 53.35 1rgc s GLU 31 Cb -0.01 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 1rgc s GLU 31 CO 0.02 0.31 0.10 0.95 0.02 0.00 0.00 175.26 176.66 1rgc s THR 32 N -2.45 0.39 0.01 3.63 -4.23 -1.26 -4.34 115.64 107.38 1rgc s THR 32 Ca 0.31 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1rgc s THR 32 Cb -0.05 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1rgc s THR 32 CO 0.17 -0.01 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.54 1rgc s VAL 33 N -3.87 0.05 0.00 2.29 1.01 0.24 -4.88 120.40 115.23 1rgc s VAL 33 Ca 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1rgc s VAL 33 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.36 1rgc s VAL 33 CO 0.13 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1rgc n GLY 34 N 2.61 -1.03 0.25 4.51 0.00 -1.26 -1.16 105.19 109.10 1rgc n GLY 34 Ca -0.16 -1.63 0.17 0.00 0.00 0.00 0.00 46.02 44.40 1rgc n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rgc h SER 35 N 0.00 0.00 -0.42 1.61 4.64 -1.99 -2.26 113.55 115.13 1rgc h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rgc h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rgc h SER 35 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1rgc n ASN 36 N -2.85 3.27 -3.42 4.97 5.03 -1.26 -5.01 115.26 115.98 1rgc n ASN 36 Ca 0.00 -1.96 -0.16 0.00 0.87 0.00 0.00 54.58 53.33 1rgc n ASN 36 Cb 0.23 -0.27 0.02 0.00 -1.02 0.00 0.00 39.78 38.74 1rgc n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1rgc n SER 37 N 1.34 -6.33 -4.88 6.41 7.64 -0.85 -4.92 113.62 112.04 1rgc n SER 37 Ca 0.20 -0.60 -0.33 0.00 1.01 0.00 0.00 58.87 59.14 1rgc n SER 37 Cb 0.56 -3.91 -0.05 0.00 -1.01 0.00 0.00 64.21 59.80 1rgc n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rgc s TYR 38 N -3.16 3.52 0.51 1.43 2.02 -0.31 -3.90 117.35 117.45 1rgc s TYR 38 Ca 0.17 0.66 -0.14 0.00 -0.37 0.00 0.00 57.07 57.40 1rgc s TYR 38 Cb -0.05 -2.07 -0.07 0.00 -0.40 0.00 0.00 41.96 39.37 1rgc s TYR 38 CO 0.81 0.47 0.93 -1.25 -1.57 0.00 0.00 175.55 174.95 1rgc s PRO 39 N -2.32 3.83 0.10 -1.71 0.04 -1.26 0.80 135.00 134.49 1rgc s PRO 39 Ca 0.37 0.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 1rgc s PRO 39 Cb -0.13 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1rgc s PRO 39 CO 0.21 -0.26 0.14 -3.38 0.04 0.00 0.00 177.00 173.75 1rgc s HIS 40 N -2.66 0.40 0.40 0.56 -3.43 -1.15 -4.91 115.29 104.50 1rgc s HIS 40 Ca 0.56 -0.84 -0.26 0.00 -0.80 0.00 0.00 55.06 53.73 1rgc s HIS 40 Cb -0.10 -0.20 -0.11 0.00 -1.43 0.00 0.00 32.58 30.74 1rgc s HIS 40 CO 0.36 -0.54 1.21 1.17 -2.00 0.00 0.00 174.74 174.93 1rgc n LYS 41 N -0.06 1.81 -3.96 -0.38 4.81 -1.26 -0.64 118.16 118.48 1rgc n LYS 41 Ca -0.12 0.64 -0.34 0.00 -0.87 0.00 0.00 58.31 57.62 1rgc n LYS 41 Cb 0.62 -2.28 -0.14 0.00 0.02 0.00 0.00 35.03 33.25 1rgc n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1rgc s TYR 42 N -1.19 3.10 0.00 5.64 5.04 0.42 -4.68 117.35 125.69 1rgc s TYR 42 Ca 0.60 -1.65 0.15 0.00 -2.44 0.00 0.00 57.07 53.74 1rgc s TYR 42 Cb -0.54 -2.06 0.25 0.00 0.35 0.00 0.00 41.96 39.96 1rgc s TYR 42 CO 0.58 -0.75 1.52 -0.91 -1.34 0.00 0.00 175.55 174.66 1rgc h ASN 43 N 8.00 0.00 -2.82 4.32 2.35 -1.94 -3.37 115.58 122.12 1rgc h ASN 43 Ca -0.30 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.33 1rgc h ASN 43 Cb 1.10 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.52 1rgc h ASN 43 CO 0.56 0.53 -0.23 -3.20 -1.65 0.00 0.00 177.43 173.44 1rgc n ASN 44 N -3.36 -2.79 0.03 5.81 5.15 -1.26 -4.93 115.26 113.91 1rgc n ASN 44 Ca 0.01 -0.18 0.04 0.00 -0.60 0.00 0.00 54.58 53.85 1rgc n ASN 44 Cb 0.68 -1.96 0.44 0.00 -0.53 0.00 0.00 39.78 38.41 1rgc n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1rgc h TYR 45 N -0.75 0.45 -0.53 1.20 0.05 -2.01 -1.85 116.97 113.53 1rgc h TYR 45 Ca -0.18 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.71 1rgc h TYR 45 Cb 1.11 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.68 1rgc h TYR 45 CO 0.15 0.30 0.36 0.93 -1.05 0.00 0.00 178.16 178.86 1rgc h GLU 46 N 0.48 0.23 0.00 4.88 3.07 -1.94 -3.47 114.58 117.83 1rgc h GLU 46 Ca 0.13 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1rgc h GLU 46 Cb -0.01 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1rgc h GLU 46 CO -0.02 0.15 0.00 0.41 -1.40 0.00 0.00 179.01 178.15 1rgc n GLY 47 N -1.56 0.71 3.75 -3.84 0.00 -0.70 -5.02 105.19 98.54 1rgc n GLY 47 Ca 0.09 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1rgc n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rgc s PHE 48 N -2.00 2.41 -1.15 1.61 0.08 -1.26 -4.91 117.98 112.76 1rgc s PHE 48 Ca 0.00 1.49 -0.07 0.00 0.12 0.00 0.00 56.93 58.47 1rgc s PHE 48 Cb 0.00 -3.53 0.26 0.00 -0.57 0.00 0.00 43.02 39.17 1rgc s PHE 48 CO 0.00 -2.28 1.52 -3.47 -0.10 0.00 0.00 175.22 170.89 1rgc n ASP 49 N -1.38 5.82 -4.77 1.36 2.03 -1.26 -5.02 116.55 113.33 1rgc n ASP 49 Ca 0.12 -3.23 -0.37 0.00 0.52 0.00 0.00 54.79 51.83 1rgc n ASP 49 Cb 0.49 -1.37 -0.01 0.00 -0.72 0.00 0.00 41.12 39.50 1rgc n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1rgc s PHE 50 N -1.32 2.95 -0.65 -0.67 0.08 -1.26 -4.93 117.98 112.17 1rgc s PHE 50 Ca 0.34 1.55 0.25 0.00 0.12 0.00 0.00 56.93 59.19 1rgc s PHE 50 Cb 0.03 -3.37 0.68 0.00 -0.57 0.00 0.00 43.02 39.79 1rgc s PHE 50 CO 0.04 -1.40 1.72 0.77 -0.10 0.00 0.00 175.22 176.25 1rgc h SER 51 N 2.22 0.00 -2.41 1.36 0.02 -1.93 -3.45 113.55 109.36 1rgc h SER 51 Ca -0.49 -0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.94 1rgc h SER 51 Cb 1.24 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 1rgc h SER 51 CO 0.61 0.00 -0.47 0.68 -1.14 0.00 0.00 176.83 176.51 1rgc s VAL 52 N -3.13 5.15 0.42 2.27 -7.23 -1.26 -5.10 120.40 111.51 1rgc s VAL 52 Ca 0.10 -0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 59.22 1rgc s VAL 52 Cb 0.10 -3.71 -0.09 0.00 0.56 0.00 0.00 36.38 33.25 1rgc s VAL 52 CO 0.62 -0.20 0.86 -0.94 -0.31 0.00 0.00 175.10 175.13 1rgc s SER 53 N -3.53 6.73 0.88 4.85 1.04 -1.26 -5.06 113.70 117.34 1rgc s SER 53 Ca 0.34 1.43 -0.11 0.00 0.48 0.00 0.00 55.95 58.09 1rgc s SER 53 Cb -0.10 -2.44 0.12 0.00 0.10 0.00 0.00 66.02 63.70 1rgc s SER 53 CO 0.28 -0.38 1.10 -0.55 0.98 0.00 0.00 173.24 174.66 1rgc s SER 54 N -2.63 3.53 0.58 7.02 0.15 -1.26 -4.72 113.70 116.37 1rgc s SER 54 Ca 0.57 1.71 -0.11 0.00 0.70 0.00 0.00 55.95 58.82 1rgc s SER 54 Cb -0.10 -2.36 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 1rgc s SER 54 CO 0.22 -2.64 0.99 -2.16 1.20 0.00 0.00 173.24 170.85 1rgc s PRO 55 N -4.84 3.66 0.14 5.44 0.04 -1.26 -4.86 135.00 133.32 1rgc s PRO 55 Ca 0.64 0.72 0.07 0.00 0.04 0.00 0.00 61.00 62.47 1rgc s PRO 55 Cb -0.19 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1rgc s PRO 55 CO 0.57 -0.46 -0.06 0.71 0.04 0.00 0.00 177.00 177.81 1rgc s TYR 56 N -3.00 2.78 0.00 0.56 2.02 -1.26 -3.71 117.35 114.74 1rgc s TYR 56 Ca 0.55 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 57.13 1rgc s TYR 56 Cb -0.11 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 1rgc s TYR 56 CO 0.48 0.48 -0.10 0.71 -1.57 0.00 0.00 175.55 175.55 1rgc s TYR 57 N -1.48 0.89 -0.10 2.71 1.51 -0.22 -0.43 117.35 120.23 1rgc s TYR 57 Ca 0.24 -0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 56.06 1rgc s TYR 57 Cb -0.10 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 1rgc s TYR 57 CO 0.16 -0.01 0.07 -1.83 -1.11 0.00 0.00 175.55 172.83 1rgc s GLU 58 N -0.41 3.21 -0.11 -0.62 -1.05 0.18 -1.62 118.70 118.28 1rgc s GLU 58 Ca 0.03 -0.28 -0.07 0.00 -0.15 0.00 0.00 54.97 54.50 1rgc s GLU 58 Cb -0.05 -2.98 0.04 0.00 -0.44 0.00 0.00 34.13 30.70 1rgc s GLU 58 CO -0.00 0.73 0.27 -0.46 0.95 0.00 0.00 175.26 176.76 1rgc s TRP 59 N -0.93 -0.36 0.44 4.83 -0.11 -0.66 -2.92 118.94 119.23 1rgc s TRP 59 Ca 0.14 0.84 -0.24 0.00 1.22 0.00 0.00 56.10 58.07 1rgc s TRP 59 Cb -0.12 0.09 -0.08 0.00 -1.50 0.00 0.00 33.47 31.87 1rgc s TRP 59 CO 0.03 -0.23 1.18 -2.14 -4.62 0.00 0.00 176.95 171.17 1rgc s PRO 60 N 1.05 3.82 -0.12 5.86 0.02 -1.26 -0.56 135.00 143.81 1rgc s PRO 60 Ca -0.07 1.84 0.03 0.00 0.02 0.00 0.00 61.00 62.81 1rgc s PRO 60 Cb -0.08 -2.49 0.01 0.00 0.02 0.00 0.00 34.50 31.95 1rgc s PRO 60 CO -0.07 -0.52 -0.22 -1.50 -0.33 0.00 0.00 177.00 174.36 1rgc s ILE 61 N -1.48 2.00 -0.07 2.83 2.07 -0.93 -4.60 121.20 121.01 1rgc s ILE 61 Ca 0.62 -0.96 -0.09 0.00 -1.41 0.00 0.00 60.65 58.81 1rgc s ILE 61 Cb -0.30 -1.76 -0.05 0.00 0.13 0.00 0.00 42.46 40.49 1rgc s ILE 61 CO 0.37 0.54 0.23 -0.76 -1.91 0.00 0.00 174.94 173.42 1rgc s LEU 62 N 0.66 4.42 0.53 8.50 1.43 -1.26 -4.43 118.68 128.53 1rgc s LEU 62 Ca -0.11 0.63 0.19 0.00 -1.03 0.00 0.00 54.13 53.81 1rgc s LEU 62 Cb -0.16 -2.28 1.38 0.00 0.03 0.00 0.00 46.19 45.16 1rgc s LEU 62 CO 0.02 0.37 2.17 0.77 0.23 0.00 0.00 176.35 179.91 1rgc h SER 63 N 4.81 0.00 0.44 2.29 4.64 -1.95 -1.74 113.55 122.05 1rgc h SER 63 Ca -0.54 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.70 1rgc h SER 63 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1rgc h SER 63 CO 0.60 0.01 -0.39 0.77 -0.87 0.00 0.00 176.83 176.94 1rgc h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.99 -3.47 113.55 117.71 1rgc h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rgc h SER 64 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1rgc h SER 64 CO 0.00 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 1rgc n GLY 65 N -0.33 0.28 3.83 -0.77 0.00 -0.65 -5.07 105.19 102.49 1rgc n GLY 65 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1rgc n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rgc s ASP 66 N -2.00 6.05 0.10 1.61 1.01 -1.26 -4.98 116.67 117.20 1rgc s ASP 66 Ca 0.00 1.61 -0.22 0.00 0.71 0.00 0.00 52.55 54.65 1rgc s ASP 66 Cb 0.00 -2.50 -0.07 0.00 1.01 0.00 0.00 42.92 41.36 1rgc s ASP 66 CO 0.00 -0.98 0.65 -0.69 0.21 0.00 0.00 175.17 174.35 1rgc s VAL 67 N -2.81 4.61 0.03 -1.27 1.01 -1.26 -4.22 120.40 116.49 1rgc s VAL 67 Ca 0.59 1.40 -0.36 0.00 0.00 0.00 0.00 61.98 63.60 1rgc s VAL 67 Cb -0.13 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 1rgc s VAL 67 CO 0.43 0.54 1.55 0.00 0.00 0.00 0.00 175.10 177.62 1rgc n TYR 68 N 1.72 1.94 -0.94 5.22 9.36 -1.26 -4.88 117.16 128.31 1rgc n TYR 68 Ca -0.08 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1rgc n TYR 68 Cb 0.50 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 1rgc n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1rgc n SER 69 N 3.80 0.10 0.00 2.98 3.41 -1.26 -5.07 113.62 117.58 1rgc n SER 69 Ca 0.20 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1rgc n SER 69 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1rgc n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rgc n GLY 70 N -0.02 3.61 5.74 5.00 0.00 -1.26 -4.70 105.19 113.55 1rgc n GLY 70 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1rgc n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rgc n GLY 71 N -1.76 -1.61 3.67 -0.02 0.00 -1.26 -4.83 105.19 99.38 1rgc n GLY 71 Ca 0.00 -1.44 -0.46 0.00 0.00 0.00 0.00 46.02 44.12 1rgc n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rgc n SER 72 N 0.06 3.11 -0.69 1.61 2.88 -1.26 -4.86 113.62 114.47 1rgc n SER 72 Ca 0.00 1.09 0.12 0.00 -1.33 0.00 0.00 58.87 58.75 1rgc n SER 72 Cb 0.00 -1.44 0.35 0.00 -0.75 0.00 0.00 64.21 62.38 1rgc n SER 72 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1rgc n PRO 73 N 3.26 1.93 0.00 -1.46 -0.04 -1.26 -5.03 135.00 132.39 1rgc n PRO 73 Ca 0.16 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1rgc n PRO 73 Cb 0.29 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1rgc n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rgc n GLY 74 N 1.24 -1.03 0.47 0.55 0.00 -1.26 -4.39 105.19 100.77 1rgc n GLY 74 Ca 0.17 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 45.17 1rgc n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgc n ALA 75 N 0.51 3.36 -2.81 4.61 0.00 -1.26 -5.00 120.51 119.92 1rgc n ALA 75 Ca 0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 53.44 52.50 1rgc n ALA 75 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 1rgc n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rgc s ASP 76 N -2.24 6.44 0.03 0.00 1.01 -1.26 -1.69 116.67 118.96 1rgc s ASP 76 Ca 0.17 0.47 -0.03 0.00 0.71 0.00 0.00 52.55 53.87 1rgc s ASP 76 Cb 0.16 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 42.03 1rgc s ASP 76 CO 0.50 0.22 0.03 -0.13 0.21 0.00 0.00 175.17 176.00 1rgc s ARG 77 N -2.04 0.48 -0.07 8.23 1.81 -0.02 -2.19 118.95 125.15 1rgc s ARG 77 Ca 0.30 -0.74 0.00 0.00 -1.72 0.00 0.00 55.73 53.57 1rgc s ARG 77 Cb -0.13 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 1rgc s ARG 77 CO 0.20 -0.10 -0.05 0.54 -0.68 0.00 0.00 175.30 175.20 1rgc s VAL 78 N -2.29 3.83 -0.18 3.52 0.11 0.28 -0.88 120.40 124.78 1rgc s VAL 78 Ca -0.08 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1rgc s VAL 78 Cb -0.03 -2.58 0.01 0.00 -1.53 0.00 0.00 36.38 32.25 1rgc s VAL 78 CO -0.04 0.60 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.47 1rgc s VAL 79 N -0.82 2.32 0.25 2.04 1.01 0.45 -1.65 120.40 124.00 1rgc s VAL 79 Ca 0.12 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1rgc s VAL 79 Cb -0.11 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1rgc s VAL 79 CO 0.02 0.52 -0.01 0.72 0.00 0.00 0.00 175.10 176.34 1rgc s PHE 80 N 1.21 1.68 0.29 5.22 -0.12 -0.64 0.35 117.98 125.97 1rgc s PHE 80 Ca 0.03 -0.87 0.01 0.00 -0.05 0.00 0.00 56.93 56.05 1rgc s PHE 80 Cb -0.14 -0.98 0.01 0.00 -0.63 0.00 0.00 43.02 41.29 1rgc s PHE 80 CO -0.09 0.04 0.08 0.27 -0.05 0.00 0.00 175.22 175.47 1rgc n ASN 81 N -0.47 2.48 0.05 1.98 6.94 -0.84 -1.05 115.26 124.34 1rgc n ASN 81 Ca -0.05 -2.15 0.21 0.00 -0.02 0.00 0.00 54.58 52.57 1rgc n ASN 81 Cb 0.64 0.12 0.73 0.00 -2.36 0.00 0.00 39.78 38.91 1rgc n ASN 81 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1rgc h GLU 82 N 0.00 0.00 -0.46 -3.83 4.39 -1.85 -0.76 114.58 112.08 1rgc h GLU 82 Ca -0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1rgc h GLU 82 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1rgc h GLU 82 CO 0.35 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.29 1rgc n ASN 83 N -4.06 2.47 -1.59 1.42 5.03 -1.26 -4.90 115.26 112.37 1rgc n ASN 83 Ca 0.08 -1.99 -0.15 0.00 0.87 0.00 0.00 54.58 53.39 1rgc n ASN 83 Cb 0.60 -0.31 -0.02 0.00 -1.02 0.00 0.00 39.78 39.04 1rgc n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1rgc n ASN 84 N 0.85 -4.55 -4.85 6.41 4.05 -0.29 -5.00 115.26 111.88 1rgc n ASN 84 Ca 0.16 0.05 -0.36 0.00 0.45 0.00 0.00 54.58 54.88 1rgc n ASN 84 Cb 0.39 -3.63 -0.06 0.00 1.23 0.00 0.00 39.78 37.71 1rgc n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1rgc s GLN 85 N -4.48 3.90 -0.15 1.20 -0.21 -1.26 -4.84 119.66 113.82 1rgc s GLN 85 Ca 0.00 0.37 -0.29 0.00 0.02 0.00 0.00 55.36 55.46 1rgc s GLN 85 Cb 0.00 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.94 1rgc s GLN 85 CO 0.00 0.57 1.28 -1.17 -2.12 0.00 0.00 175.29 173.86 1rgc s LEU 86 N -1.66 4.20 -0.12 2.90 2.96 -1.26 -1.98 118.68 123.71 1rgc s LEU 86 Ca 0.32 1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 55.95 1rgc s LEU 86 Cb -0.15 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.75 1rgc s LEU 86 CO 0.17 -0.76 0.38 0.00 -1.32 0.00 0.00 176.35 174.82 1rgc n ALA 87 N 6.53 1.06 0.00 5.97 0.00 0.16 -4.82 120.51 129.41 1rgc n ALA 87 Ca 0.14 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1rgc n ALA 87 Cb 0.45 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1rgc n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgc n GLY 88 N 1.92 -0.05 3.20 0.00 0.00 -1.03 -4.68 105.19 104.55 1rgc n GLY 88 Ca -0.30 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1rgc n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rgc s VAL 89 N -2.00 2.52 0.35 1.61 1.01 -1.26 -0.41 120.40 122.21 1rgc s VAL 89 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1rgc s VAL 89 Cb 0.00 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 1rgc s VAL 89 CO 0.00 0.51 0.05 0.27 0.00 0.00 0.00 175.10 175.92 1rgc s ILE 90 N 1.19 1.38 -0.01 2.22 -4.36 -0.06 -0.86 121.20 120.70 1rgc s ILE 90 Ca 0.02 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.21 1rgc s ILE 90 Cb -0.14 -2.84 0.04 0.00 1.25 0.00 0.00 42.46 40.76 1rgc s ILE 90 CO -0.07 0.00 0.42 0.28 0.24 0.00 0.00 174.94 175.81 1rgc s THR 91 N -3.15 0.04 -0.40 8.37 -1.32 0.07 -0.84 115.64 118.41 1rgc s THR 91 Ca 0.36 -0.36 0.23 0.00 -1.21 0.00 0.00 61.69 60.71 1rgc s THR 91 Cb 0.09 -0.78 0.27 0.00 -1.51 0.00 0.00 72.50 70.57 1rgc s THR 91 CO 0.16 -0.20 1.49 0.45 -2.21 0.00 0.00 174.62 174.32 1rgc h HIS 92 N 3.47 0.00 -2.68 9.09 3.86 -1.51 0.99 115.15 128.37 1rgc h HIS 92 Ca -0.29 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.40 1rgc h HIS 92 Cb 1.17 0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.70 1rgc h HIS 92 CO 0.47 0.01 1.01 0.99 0.86 0.00 0.00 177.93 181.26 1rgc s THR 93 N -3.24 2.09 -0.79 2.45 2.01 -1.26 -1.47 115.64 115.43 1rgc s THR 93 Ca 0.05 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1rgc s THR 93 Cb 0.06 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1rgc s THR 93 CO 0.70 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 1rgc n GLY 94 N 3.97 0.93 3.46 4.40 0.00 -1.26 -4.78 105.19 111.91 1rgc n GLY 94 Ca 0.16 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1rgc n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgc s ALA 95 N -2.17 2.61 0.22 4.61 0.00 -0.54 -4.96 121.76 121.53 1rgc s ALA 95 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1rgc s ALA 95 Cb 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 23.12 22.27 1rgc s ALA 95 CO 0.00 0.57 1.30 0.45 0.00 0.00 0.00 175.76 178.08 1rgc s SER 96 N -1.42 6.90 0.98 0.00 0.15 -1.26 -4.72 113.70 114.34 1rgc s SER 96 Ca 0.15 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.23 1rgc s SER 96 Cb -0.11 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1rgc s SER 96 CO 0.05 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1rgc n GLY 97 N 2.09 3.03 1.42 9.45 0.00 -1.26 -0.95 105.19 118.98 1rgc n GLY 97 Ca 0.05 0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.43 1rgc n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rgc n ASN 98 N 5.75 4.78 -4.21 1.61 5.03 -1.26 -4.98 115.26 121.99 1rgc n ASN 98 Ca 0.00 -2.84 -0.30 0.00 0.87 0.00 0.00 54.58 52.32 1rgc n ASN 98 Cb 0.00 -0.59 0.18 0.00 -1.02 0.00 0.00 39.78 38.34 1rgc n ASN 98 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1rgc s ASN 99 N -1.23 3.17 0.16 6.41 0.01 -0.13 -5.03 114.94 118.31 1rgc s ASN 99 Ca 0.48 0.35 0.04 0.00 -0.71 0.00 0.00 52.86 53.02 1rgc s ASN 99 Cb 0.36 -0.45 -0.05 0.00 0.41 0.00 0.00 41.25 41.53 1rgc s ASN 99 CO 0.15 -2.70 -0.09 -0.36 -1.51 0.00 0.00 177.10 172.59 1rgc s PHE 100 N -3.81 1.30 0.13 2.20 0.08 -1.26 -4.31 117.98 112.31 1rgc s PHE 100 Ca 0.72 -0.79 0.05 0.00 0.12 0.00 0.00 56.93 57.04 1rgc s PHE 100 Cb -0.05 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 1rgc s PHE 100 CO 0.53 0.06 -0.12 0.14 -0.10 0.00 0.00 175.22 175.72 1rgc s VAL 101 N -3.35 1.25 0.35 -0.44 -7.23 0.34 -4.93 120.40 106.38 1rgc s VAL 101 Ca 0.18 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 58.28 1rgc s VAL 101 Cb 0.03 -1.64 -0.10 0.00 0.56 0.00 0.00 36.38 35.23 1rgc s VAL 101 CO 0.02 -0.56 0.90 -1.61 -0.31 0.00 0.00 175.10 173.54 1rgc s GLU 102 N -3.09 4.38 0.50 4.82 2.02 -1.26 -0.75 118.70 125.31 1rgc s GLU 102 Ca 0.12 1.15 -0.17 0.00 0.02 0.00 0.00 54.97 56.09 1rgc s GLU 102 Cb -0.02 -2.57 -0.08 0.00 0.10 0.00 0.00 34.13 31.56 1rgc s GLU 102 CO 0.02 0.18 0.98 0.00 0.02 0.00 0.00 175.26 176.46